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1-piperazinecarboxylic acid, 4-[[2-methoxy-5-(4-methyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]sulfonyl]-, ethyl ester

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1-piperazinecarboxylic acid, 4-[[2-methoxy-5-(4-methyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]sulfonyl]-, ethyl ester
SpectraBase Compound ID 6NldGrX11lV
InChI InChI=1S/C18H25N3O8S2/c1-4-29-18(23)19-7-9-20(10-8-19)31(26,27)16-11-14(5-6-15(16)28-3)21-17(22)13(2)12-30(21,24)25/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKey QWXWUYPIVYRMKT-UHFFFAOYSA-N
Mol Weight 475.53 g/mol
Molecular Formula C18H25N3O8S2
Exact Mass 475.108307 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H2cAZWAfIHY
Name 1-piperazinecarboxylic acid, 4-[[2-methoxy-5-(4-methyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]sulfonyl]-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H25N3O8S2/c1-4-29-18(23)19-7-9-20(10-8-19)31(26,27)16-11-14(5-6-15(16)28-3)21-17(22)13(2)12-30(21,24)25/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKey QWXWUYPIVYRMKT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8857
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F33745; Labnumber: CHEKAN-00528